900079

Cortisone-2,3,4-¹³C₃ 21-sulfate sodium salt solution

100 μg/mL in methanol, ≥98 atom % ¹³C, ≥95% (CP)

• Empirical Formula (Hill Notation): ¹³C₃C₁₈H₂₇NaO₈S
• Molecular Weight: 465.47
• UNSPSC Code: 12142200
• NACRES: NA.12

Properties

• isotopic purity: ≥98 atom % ¹³C
• Quality Level: 200
• Assay: ≥95% (CP)
• form: solution
• concentration: 100 μg/mL in methanol
• technique(s): mass spectrometry (MS): suitable
• mass shift: M+3
• storage temp.: −20°C
• SMILES string: O=C(COS(=O)([O-])=O)[C@@]1(O)CC[C@@]([C@]1(C)C2)([H])[C@]3([H])CCC4=[13CH][13C]([13CH2]C[C@]4(C)C3C2=O)=O.[Na+]
• InChI: 1S/C21H28O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h9,14-15,18,25H,3-8,10-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t14-,15-,18?,19-,20-,21-;/m0./s1/i5+1,9+1,13+1;
• InChI key: CKCQAVLXEMPVTM-IHWDKLTBSA-M

Safety Information

• Pictograms: GHS02,GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H225,H301 + H311 + H331,H370
• Precautionary Statements: P210 - P280 - P302 + P352 + P312 - P304 + P340 + P311 - P370 + P378 - P403 + P235
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 49.5 °F
• Flash Point(C): 9.7 °C